Molecule
ID:98105
General Information
Molecular Formula
C₇H₃BrFIN₂
Molecular Mass
340.9189932
Exact Mass
339.85083633
Charge
0
InChI
InChI=1S/C7H3BrFIN2/c8-4-2-6-3(1-5(4)9)7(10)12-11-6/h1-2H,(H,11,12)
InChIKey
LLYVGIFTUFARIA-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2[nH]nc(c2cc1F)I
Isomeric Smiles
[nH]1c2cc(c(cc2c(n1)I)F)Br
Calculated Properties
JChem
Acid pKa
12.7851
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1692934
LogD (pH = 7.4)
3.1692927
Log P
3.1692944
Molar Refractivity
56.9829
Polarizability
22.759739
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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